[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane

C9H15FO2S — CID 164680119

IUPAC[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)[C@@H]1C[C@H]1F
InChIInChI=1S/C9H15FO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h7-9H,1-6H2/t8-,9-/m1/s1
InChIKeyNVZZYNIAKGEVMD-RKDXNWHRSA-N
MW206.28 g/mol
LogP1.84
Rot. Bonds2

About [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane

[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane (PubChem CID 164680119) has the molecular formula C9H15FO2S and a molecular weight of 206.28 g/mol. Its IUPAC name is [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane.

Molecular Properties

Compound Name[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane
PubChem CID164680119
Molecular FormulaC9H15FO2S
Molecular Weight206.28 g/mol
Exact Mass206.08
IUPAC Name[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)[C@@H]1C[C@H]1F
InChIInChI=1S/C9H15FO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h7-9H,1-6H2/t8-,9-/m1/s1
InChIKeyNVZZYNIAKGEVMD-RKDXNWHRSA-N
XLogP1.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane?
The IUPAC name of [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane (CID 164680119) is [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane.
What is the SMILES notation for [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane?
The canonical SMILES for [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane is O=S(=O)(C1CCCCC1)[C@@H]1C[C@H]1F.
What is the InChIKey of [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane?
The InChIKey is NVZZYNIAKGEVMD-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15FO2S/c10-8-6-9(8)13(11,12)7-4-2-1-3-5-7/h7-9H,1-6H2/t8-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane?
[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane has a molecular weight of 206.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane is sourced from PubChem (CID 164680119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).